1-[3-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-[(1Z)-1-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-[(Z)-C-methyl-N-(methylthiocarbamoylamino)carbonimidoyl]phenyl]sulfonylisonipecotic acid Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC)/C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H22N4O4S2/c1-11(18-19-16(25)17-2)13-4-3-5-14(10-13)26(23,24)20-8-6-12(7-9-20)15(21)22/h3-5,10,12H,6-9H2,1-2H3,(H,21,22)(H2,17,19,25)/b18-11-